0 B9R1.8 OCCC1=CC=CC=C1 D00192 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.2 OCC1=CC=CC=C1 D00077 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 OCC1=CC=CN=C1 D05158 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.17 CNCCC1=NC=CC=C1 D01592 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.17 CNCCC1=NC=CC=C1 D03102 [0,1,0,0,0,0|0,0,0]=1 7 B10R1.17 CNCCC1=NC=CC=C1 D07522 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.17 NNCCC1=CC=CC=C1 D00505 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.17 NNCCC1=CC=CC=C1 D08349 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.17 OCCOC1=CC=CC=C1 D08359 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.8 NCCC1=CNC=N1 D04444 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.8 NCCC1=CNC=N1 D04445 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.8 NCCC1=CNC=N1 D08040 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.8 NCCC1=NNC=C1 D01187 [0,0,0,0,1,0|2,0,0]=3 22 B7R1.3 OC1=CC=CC=C1 D00033 [2,0,0,0,0,0|2,0,0]=4 23 B7R1.3 OC1=CC=CC=C1 D06534 [2,0,0,0,0,0|2,0,0]=4 24 B7R1.3 [O-]C1=CC=CC=C1 D05455 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 COC1=CC=C(O)C=C1 D04926 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.6 CN(C)C1=CN=CC=N1 D02929 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.15 COC1=CC=CC=C1O D00117 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.15 OCC1=CC=CC=C1O D05790 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,2,0,0,0,0|1,0,0]=3 30 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,2,0,0,0,0|1,0,1]=4 31 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,2,0,0,0,0|2,0,0]=4 32 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D00633 [0,2,0,0,0,0|2,0,0]=4 33 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D07870 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.34 CCCC1=CC(=O)NC(=S)N1 D00562 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,2,0,0,0,0|1,0,0]=3 39 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.28 OCCSCC1=CC=NC=C1 D05737 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [0,2,0,0,0,0|2,0,0]=4 49 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,1,0,1,0,0|1,0,0]=3 50 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,1,0,1,0,0|1,0,0]=3